Molecule Editor

Molecule ID: FYI-1013688 Edit

Molecule Structure InChIKey: IJBCZESIUHDIAR-FZSIALSZSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)cc1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013688
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
   18.1866    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1492   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
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 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
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 37 33  1  0  0  0  0
 38 37  2  0  0  0  0
 38 30  1  0  0  0  0
 39 27  2  0  0  0  0
 40 26  1  0  0  0  0
 41 40  2  0  0  0  0
 41 23  1  0  0  0  0
 42  6  2  0  0  0  0
 42  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013688-3D
FYIcenter.com

 63 67  0  0  0  0  0  0  0  0999 V2000
    0.8075    0.6608    1.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    0.6328    0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -0.5403   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -1.4599   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096   -2.6885   -1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956   -3.3638   -1.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685   -4.5650   -2.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423   -5.1223   -2.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176   -6.3809   -3.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6160   -6.8956   -3.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5906   -6.8614   -3.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569   -4.4847   -2.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132   -3.2683   -1.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907    1.7982    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9847    2.6586    1.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795    3.8061    1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1318    4.1042   -0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7886    5.3275   -0.6522 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301    5.0391   -1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0336    5.6878   -3.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567    6.5924   -3.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5073    7.2483   -4.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7679    7.0579   -5.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4180    8.8094   -7.0892 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    8.6148   -6.2342 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6854    7.1403   -7.6523 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5942    6.0595   -4.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1935    5.3428   -3.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161    6.6712   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222    7.6736   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1800    8.9729    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9514    9.3491    0.6752 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    8.4436    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    8.9702    1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321    8.2273    0.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9265    6.3717    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
$$$$